General Information of the Compound
| Compound ID |
CP0883360
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| Compound Name |
(5S,11R)-7,11-dimethyl-5-propyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C22H34N4O4
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| Molecular Weight |
418.538
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](C)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C22H34N4O4/c1-4-8-18-22(29)26(3)15-20(27)25-16(2)21(28)24-12-7-10-17-9-5-6-11-19(17)30-14-13-23-18/h5-6,9,11,16,18,23H,4,7-8,10,12-15H2,1-3H3,(H,24,28)(H,25,27)/t16-,18+/m1/s1
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| InChIKey |
FLSJZZZRULEREP-AEFFLSMTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound